COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 FE   UNL     1       1.004   0.058  -0.274  1.00  0.00          Fe  
HETATM    2  N   UNL     1      -0.329   1.189  -0.867  1.00  0.00           N  
HETATM    3  N   UNL     1       1.928   1.201   0.859  1.00  0.00           N1+
HETATM    4  N   UNL     1       2.410  -0.756  -1.151  1.00  0.00           N1+
HETATM    5  N   UNL     1      -0.022  -1.436   0.113  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.633   0.788  -1.068  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.134  -0.420  -0.564  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.397  -1.440   0.061  1.00  0.00           C  
HETATM    9  C   UNL     1       1.508   2.433   1.092  1.00  0.00           C  
HETATM   10  C   UNL     1       0.500   3.089   0.377  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.336   2.542  -0.603  1.00  0.00           C  
HETATM   12  C   UNL     1       3.682  -0.360  -1.005  1.00  0.00           C  
HETATM   13  C   UNL     1       4.093   0.435   0.083  1.00  0.00           C  
HETATM   14  C   UNL     1       3.267   1.110   0.993  1.00  0.00           C  
HETATM   15  C   UNL     1       0.426  -2.726  -0.086  1.00  0.00           C  
HETATM   16  C   UNL     1       1.555  -3.006  -0.861  1.00  0.00           C  
HETATM   17  C   UNL     1       2.423  -2.061  -1.458  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.227   1.917  -1.638  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.511   1.946  -2.426  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.421   3.007  -1.347  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.671   4.435  -1.758  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.688   2.179  -1.477  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.972   2.208  -2.265  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.142   2.400  -1.636  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.948   2.057  -3.464  1.00  0.00           O  
HETATM   26  C   UNL     1       2.424   2.952   2.176  1.00  0.00           C  
HETATM   27  C   UNL     1       2.913   4.363   1.841  1.00  0.00           C  
HETATM   28  C   UNL     1       1.719   2.934   3.534  1.00  0.00           C  
HETATM   29  C   UNL     1       2.669   3.464   4.609  1.00  0.00           C  
HETATM   30  C   UNL     1       3.590   1.953   2.152  1.00  0.00           C  
HETATM   31  O   UNL     1       4.540   1.879   2.903  1.00  0.00           O  
HETATM   32  C   UNL     1       4.385  -1.092  -2.048  1.00  0.00           C  
HETATM   33  C   UNL     1       5.689  -0.721  -2.706  1.00  0.00           C  
HETATM   34  C   UNL     1       3.600  -2.202  -2.305  1.00  0.00           C  
HETATM   35  C   UNL     1       3.900  -3.325  -3.264  1.00  0.00           C  
HETATM   36  C   UNL     1       4.563  -4.478  -2.508  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.596  -3.502   0.464  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.490  -4.945   0.883  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.727  -2.703   0.555  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.070  -3.124   1.092  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.172  -2.740   2.569  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.516  -3.160   3.106  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.311  -3.711   2.382  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.830  -2.923   4.390  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.197  -0.584  -0.666  1.00  0.00           H  
HETATM   46  H   UNL     1       0.350   4.134   0.606  1.00  0.00           H  
HETATM   47  H   UNL     1       5.158   0.536   0.232  1.00  0.00           H  
HETATM   48  H   UNL     1       1.788  -4.048  -1.022  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.470   2.752  -3.159  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.643   0.994  -2.941  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.203   4.622  -2.725  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.744   4.609  -1.834  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.245   5.108  -1.013  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.729   1.373  -0.744  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.556   3.131  -0.962  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.938   2.411  -2.184  1.00  0.00           H  
HETATM   57  H   UNL     1       2.057   5.032   1.752  1.00  0.00           H  
HETATM   58  H   UNL     1       3.571   4.717   2.635  1.00  0.00           H  
HETATM   59  H   UNL     1       3.459   4.344   0.898  1.00  0.00           H  
HETATM   60  H   UNL     1       0.831   3.565   3.490  1.00  0.00           H  
HETATM   61  H   UNL     1       1.427   1.913   3.778  1.00  0.00           H  
HETATM   62  H   UNL     1       2.167   3.451   5.576  1.00  0.00           H  
HETATM   63  H   UNL     1       3.557   2.833   4.652  1.00  0.00           H  
HETATM   64  H   UNL     1       2.961   4.486   4.364  1.00  0.00           H  
HETATM   65  H   UNL     1       6.515  -1.161  -2.148  1.00  0.00           H  
HETATM   66  H   UNL     1       5.699  -1.098  -3.729  1.00  0.00           H  
HETATM   67  H   UNL     1       5.794   0.363  -2.718  1.00  0.00           H  
HETATM   68  H   UNL     1       2.972  -3.674  -3.717  1.00  0.00           H  
HETATM   69  H   UNL     1       4.573  -2.967  -4.043  1.00  0.00           H  
HETATM   70  H   UNL     1       5.491  -4.129  -2.055  1.00  0.00           H  
HETATM   71  H   UNL     1       3.891  -4.836  -1.728  1.00  0.00           H  
HETATM   72  H   UNL     1       4.781  -5.290  -3.201  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.181  -4.999   1.927  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.459  -5.430   0.766  1.00  0.00           H  
HETATM   75  H   UNL     1       0.247  -5.451   0.259  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.859  -2.622   0.531  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.181  -4.203   0.989  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.384  -3.241   3.131  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.062  -1.660   2.673  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.704  -3.211   4.688  1.00  0.00           H  
CONECT    1    2    3    4    5                                       
CONECT    2    1    6   11                                            
CONECT    3    1    9   14   14                                       
CONECT    4    1   12   17   17                                       
CONECT    5    1    8   15                                            
CONECT    6    2    7   18   18                                       
CONECT    7    6    8    8   45                                       
CONECT    8    5    7    7   39                                       
CONECT    9    3   10   10   26                                       
CONECT   10    9    9   11   46                                       
CONECT   11    2   10   20   20                                       
CONECT   12    4   13   13   32                                       
CONECT   13   12   12   14   47                                       
CONECT   14    3    3   13   30                                       
CONECT   15    5   16   16   37                                       
CONECT   16   15   15   17   48                                       
CONECT   17    4    4   16   34                                       
CONECT   18    6    6   19   20                                       
CONECT   19   18   22   49   50                                       
CONECT   20   11   11   18   21                                       
CONECT   21   20   51   52   53                                       
CONECT   22   19   23   54   55                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   56                                                 
CONECT   25   23   23                                                 
CONECT   26    9   27   28   30                                       
CONECT   27   26   57   58   59                                       
CONECT   28   26   29   60   61                                       
CONECT   29   28   62   63   64                                       
CONECT   30   14   26   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   12   33   34   34                                       
CONECT   33   32   65   66   67                                       
CONECT   34   17   32   32   35                                       
CONECT   35   34   36   68   69                                       
CONECT   36   35   70   71   72                                       
CONECT   37   15   38   39   39                                       
CONECT   38   37   73   74   75                                       
CONECT   39    8   37   37   40                                       
CONECT   40   39   41   76   77                                       
CONECT   41   40   42   78   79                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   80                                                 
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
